REMARK  Name = BDB052540
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.045  -1.848  -1.507  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1       -0.773  -0.875  -0.948  0.00  0.00    -0.214 NA
ATOM      3  C   LIG    1       -2.090  -0.835  -1.231  0.00  0.00    +0.084 A 
ATOM      4  C   LIG    1       -2.708  -1.743  -2.058  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1       -1.886  -2.704  -2.586  0.00  0.00    +0.116 A 
ATOM      6  N   LIG    1       -0.569  -2.777  -2.325  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.833   0.244  -0.585  0.00  0.00    +0.060 A 
ATOM      8  C   LIG    1       -4.002   0.216   0.164  0.00  0.00    +0.055 A 
ATOM      9  C   LIG    1       -4.795  -0.980   0.553  0.00  0.00    +0.067 C 
ATOM     10  N   LIG    1       -4.454   1.456   0.593  0.00  0.00    -0.249 NA
ATOM     11  C   LIG    1       -3.625   2.399   0.203  0.00  0.00    +0.076 A 
ATOM     12  C   LIG    1       -3.796   3.845   0.506  0.00  0.00    +0.073 C 
ATOM     13  S   LIG    1       -2.279   1.867  -0.714  0.00  0.00    -0.071 S 
ENDBRANCH   3   7
BRANCH   1  14
ATOM     14  N   LIG    1        1.322  -1.974  -1.279  0.00  0.00    -0.284 N 
ATOM     15  H   LIG    1        1.666  -2.772  -1.791  0.00  0.00    +0.155 HD
BRANCH  14  19
ATOM     16  C   LIG    1        4.244   0.104   1.014  0.00  0.00    +0.027 A 
ATOM     17  C   LIG    1        4.565  -1.004   0.224  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1        3.587  -1.679  -0.519  0.00  0.00    +0.025 A 
ATOM     19  C   LIG    1        2.251  -1.256  -0.522  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1        1.941  -0.124   0.233  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1        2.923   0.552   0.975  0.00  0.00    +0.025 A 
BRANCH  16  23
ATOM     22  C   LIG    1        4.949   1.697   2.751  0.00  0.00    +0.125 C 
ATOM     23  N   LIG    1        5.276   0.773   1.680  0.00  0.00    -0.347 N 
ATOM     24  H   LIG    1        6.035   0.142   1.923  0.00  0.00    +0.146 HD
ENDBRANCH  16  23
ENDBRANCH  14  19
ENDBRANCH   1  14
TORSDOF 4